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(8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one

PubChem CID: 11492496

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Compound Synonyms Zederone, (8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one, 7727-79-9, SCHEMBL24422152, 5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0^{3,5}]tetradeca-1(11),8,13-trien-2-one
Topological Polar Surface Area 42.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 18.0
Description Constituent of the rhizome of Curcuma zedoaria (zedoary)
Isotope Atom Count 0.0
Molecular Complexity 401.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C15H18O3
Prediction Swissadme 0.0
Inchi Key CVIVANCKIBYAOP-WEVVVXLNSA-N
Fcsp3 0.5333333333333333
Logs -4.886
Rotatable Bond Count 0.0
Logd 3.124
Synonyms Zederone
Compound Name (8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one
Prediction Hob Swissadme 0.0
Exact Mass 246.126
Formal Charge 0.0
Monoisotopic Mass 246.126
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 246.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -3.1476527555555553
Inchi InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+
Smiles C/C/1=C\CCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
Nring 3.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Heyneana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Inodora (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Petiolata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Curcuma Pseudomontana (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Curcuma Rubescens (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Curcuma Zerumbet (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
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